CID 11796710

N-stearoyltryptamine

Structural Information

Molecular Formula
C28H46N2O
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCCC1=CNC2=CC=CC=C21
InChI
InChI=1S/C28H46N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(31)29-23-22-25-24-30-27-20-18-17-19-26(25)27/h17-20,24,30H,2-16,21-23H2,1H3,(H,29,31)
InChIKey
AIIVCXFBTONHDU-UHFFFAOYSA-N
Compound name
N-[2-(1H-indol-3-yl)ethyl]octadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

18
Patents

426.36102 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.36830 216.2
[M+Na]+ 449.35024 217.1
[M-H]- 425.35374 215.1
[M+NH4]+ 444.39484 226.6
[M+K]+ 465.32418 209.2
[M+H-H2O]+ 409.35828 206.3
[M+HCOO]- 471.35922 233.9
[M+CH3COO]- 485.37487 232.4
[M+Na-2H]- 447.33569 213.9
[M]+ 426.36047 221.9
[M]- 426.36157 221.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe